<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365261</id>
  <title nil="true"/>
  <common-name>5-amino-2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazin-3-one</common-name>
  <description>5-amino-2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazin-3-one is a compound with the formula C9H14N4O5. It has an average molecular weight of 258.23 g/mol.</description>
  <cas>23701-72-6</cas>
  <pubchem-id>211875</pubchem-id>
  <chemical-formula>C9H14N4O5</chemical-formula>
  <weight>258.23</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T15:45:55Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:45:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=NN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O</moldb-smiles>
  <moldb-formula>C9H14N4O5</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O5/c1-3-7(10)11-9(17)13(12-3)8-6(16)5(15)4(2-14)18-8/h4-6,8,14-16H,2H2,1H3,(H2,10,11,17)/t4-,5-,6-,8-/m1/s1</moldb-inchi>
  <moldb-inchikey>JVNBACRJAZZHPP-UAKXSSHOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">258.0964196</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-2.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM361154</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-amino-2-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazin-3-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbohydrates and carbohydrate conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315217</sync-id>
  <structure-inchikey>JVNBACRJAZZHPP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10800800000000004000000000000000000002000000000000000000000020000000000000002000000000000000000200000000000000000000000000000000000000200000000020800000000000000000000000000000000000010000000000000000000000000000000100000000000000000800100000000040000000000000000000000000001080000000000000200000400000000000000020000000000000080000000000000000005000000100000088000000000000000000000080000000000000000010000000002000000000080000000000000000000801040000010000000040000000080000000000000000000400</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(�������(������@(������@(�������h��������`�������`�������`�������`������� ������`�������`�������`�������`�����������h���h���h���(���h���h��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:23Z</structure-indexed-at>
</compound>
